element(s):
['Mg', 'Si']
AFLOW prototype label:
A2B_hP6_194_ac_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.6422', '1.3036707']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Mg', 'Si']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]
 [0.33333333 0.66666667 0.75      ]]
spacegroup =  194
cell =  [[4.6422, 0, 0], [-2.3211, 4.0202631294481, 0], [0, 0, 6.0519]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:28:57      -10.319618        2.7008
BFGS:    1 11:28:57      -10.623890        2.7828
BFGS:    2 11:28:57      -11.022017        2.8909
BFGS:    3 11:28:57      -11.423957        2.9957
BFGS:    4 11:28:57      -11.828152        3.0989
BFGS:    5 11:28:57      -12.231997        3.2097
BFGS:    6 11:28:57      -12.632881        3.3066
BFGS:    7 11:28:57      -13.028135        3.3972
BFGS:    8 11:28:57      -13.414755        3.4802
BFGS:    9 11:28:57      -13.750200        3.5450
BFGS:   10 11:28:57      -14.142546        3.6123
BFGS:   11 11:28:57      -14.530768        3.6721
BFGS:   12 11:28:57      -14.922803        3.7167
BFGS:   13 11:28:57      -15.310556        3.7425
BFGS:   14 11:28:58      -15.623547        3.7319
BFGS:   15 11:28:58      -15.922943        3.6935
BFGS:   16 11:28:58      -16.180752        3.6276
BFGS:   17 11:28:58      -16.414172        3.5112
BFGS:   18 11:28:58      -16.618256        3.3457
BFGS:   19 11:28:58      -16.798275        3.1321
BFGS:   20 11:28:58      -16.954438        2.8477
BFGS:   21 11:28:58      -17.088061        2.5082
BFGS:   22 11:28:59      -17.199241        2.0604
BFGS:   23 11:28:59      -17.286749        1.5156
BFGS:   24 11:28:59      -17.347040        0.8413
BFGS:   25 11:28:59      -17.373699        0.2029
BFGS:   26 11:28:59      -17.375435        0.1136
BFGS:   27 11:28:59      -17.376221        0.0456
BFGS:   28 11:28:59      -17.376285        0.0179
BFGS:   29 11:28:59      -17.376294        0.0012
BFGS:   30 11:28:59      -17.376294        0.0001
BFGS:   31 11:28:59      -17.376294        0.0000
BFGS:   32 11:28:59      -17.376294        0.0000
BFGS:   33 11:28:59      -17.376294        0.0000
Minimization converged after 33 steps.
Maximum force component: 7.996564485249456e-31 eV/Angstrom
Maximum stress component: 3.1777890807827225e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 1.90286117e-52 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 7.50000000e-01]
 [6.66666667e-01 3.33333333e-01 2.50000000e-01]]
cellpar =  Cell([[4.054739907796086, -9.748663760763807e-18, -6.183328771591563e-36], [-2.027369953898043, 3.511507765889982, 1.1554503590020423e-36], [3.212614875864123e-36, -5.219255140972479e-36, 4.811479967620695]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.99914112e-31  1.15420466e-31  1.97686898e-32]
 [ 5.99742336e-31 -3.46261399e-31 -1.97686898e-32]
 [ 7.99656449e-31 -4.61681866e-31  9.88434490e-33]
 [-4.33147243e-31  2.88551166e-31 -9.88434490e-33]]
stress =  [-2.13570683e-11 -2.13570683e-11  3.17778908e-11 -9.72717840e-34
  5.95030682e-47  2.57237507e-27]
energy per atom =  -2.896048970762504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0